tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

C136H76N12Pt4S8 — CID 159984736

IUPACtetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ccsc3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccsc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccc(-c3ccsc3)cc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cccc(-c3ccsc3)c21
InChIInChI=1S/4C34H19N3S2.4Pt/c1-2-13-32-30(12-1)36-34(39-32)23-14-15-27-28-10-6-9-26(24-16-18-38-21-24)33(28)37(31(27)20-23)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-13-32-29(11-1)36-34(39-32)23-14-15-27-31(20-23)37(25-8-5-7-22(19-25)28-10-3-4-17-35-28)30-12-6-9-26(33(27)30)24-16-18-38-21-24;1-2-10-33-30(9-1)36-34(39-33)24-11-13-27-28-19-22(25-15-17-38-21-25)12-14-31(28)37(32(27)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;1-2-10-33-30(9-1)36-34(39-33)24-12-14-28-27-13-11-22(25-15-17-38-21-25)19-31(27)37(32(28)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;;;;/h2*1-18,21H;2*1-17,19,21H;;;;/q4*-2;4*+2
InChIKeyDCNMEABEHWIJLD-UHFFFAOYSA-N
MW2915.04 g/mol
LogP37.80
Rot. Bonds16

About tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 159984736) has the molecular formula C136H76N12Pt4S8 and a molecular weight of 2915.04 g/mol. Its IUPAC name is tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Nametetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
PubChem CID159984736
Molecular FormulaC136H76N12Pt4S8
Molecular Weight2915.04 g/mol
Exact Mass2912.27
IUPAC Nametetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ccsc3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccsc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccc(-c3ccsc3)cc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cccc(-c3ccsc3)c21
InChIInChI=1S/4C34H19N3S2.4Pt/c1-2-13-32-30(12-1)36-34(39-32)23-14-15-27-28-10-6-9-26(24-16-18-38-21-24)33(28)37(31(27)20-23)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-13-32-29(11-1)36-34(39-32)23-14-15-27-31(20-23)37(25-8-5-7-22(19-25)28-10-3-4-17-35-28)30-12-6-9-26(33(27)30)24-16-18-38-21-24;1-2-10-33-30(9-1)36-34(39-33)24-11-13-27-28-19-22(25-15-17-38-21-25)12-14-31(28)37(32(27)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;1-2-10-33-30(9-1)36-34(39-33)24-12-14-28-27-13-11-22(25-15-17-38-21-25)19-31(27)37(32(28)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;;;;/h2*1-18,21H;2*1-17,19,21H;;;;/q4*-2;4*+2
InChIKeyDCNMEABEHWIJLD-UHFFFAOYSA-N
XLogP37.80
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002915.04
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The IUPAC name of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 159984736) is tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.
What is the SMILES notation for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The canonical SMILES for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2c(-c3ccsc3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccsc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccc(-c3ccsc3)cc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cccc(-c3ccsc3)c21.
What is the InChIKey of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The InChIKey is DCNMEABEHWIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H19N3S2.4Pt/c1-2-13-32-30(12-1)36-34(39-32)23-14-15-27-28-10-6-9-26(24-16-18-38-21-24)33(28)37(31(27)20-23)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-13-32-29(11-1)36-34(39-32)23-14-15-27-31(20-23)37(25-8-5-7-22(19-25)28-10-3-4-17-35-28)30-12-6-9-26(33(27)30)24-16-18-38-21-24;1-2-10-33-30(9-1)36-34(39-33)24-11-13-27-28-19-22(25-15-17-38-21-25)12-14-31(28)37(32(27)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;1-2-10-33-30(9-1)36-34(39-33)24-12-14-28-27-13-11-22(25-15-17-38-21-25)19-31(27)37(32(28)20-24)26-7-5-6-23(18-26)29-8-3-4-16-35-29;;;;/h2*1-18,21H;2*1-17,19,21H;;;;/q4*-2;4*+2.
What are the key properties of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 2915.04 g/mol, XLogP of 37.80, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-5-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-6-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-7-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8-thiophen-3-yl-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 159984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).